3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

C14H23NO — CID 106650914

IUPAC3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2=CCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C14H23NO/c16-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)15-12/h5,12-13,15-16H,1-4,6-10H2
InChIKeyMCEUDTASUWOUPC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.52
Rot. Bonds1

About 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106650914) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106650914
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2=CCCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C14H23NO/c16-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)15-12/h5,12-13,15-16H,1-4,6-10H2
InChIKeyMCEUDTASUWOUPC-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
1-(8-Azabicyclo[3.2.1]octan-3-yl)cyclohexa-2,4-dien-1-ol
CID 149917919
3-Ethenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65416262
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
3-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 79734393
2-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613765
4-(Cycloocten-1-yl)piperidin-4-ol
CID 106650881
4-(Cyclohexen-1-yl)piperidin-4-ol
CID 106650882
4-(Cyclohepten-1-yl)piperidin-4-ol
CID 106650883
3-(Cyclohepten-1-yl)piperidin-3-ol
CID 106650908
3-(Cycloocten-1-yl)pyrrolidin-3-ol
CID 106650909
3-(Cyclohexen-1-yl)pyrrolidin-3-ol
CID 106650910

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 106650914) is 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C2=CCCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MCEUDTASUWOUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14(11-5-3-1-2-4-6-11)9-12-7-8-13(10-14)15-12/h5,12-13,15-16H,1-4,6-10H2.
What are the key properties of 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106650914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).